5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione

C15H13N3O3 — CID 139787309

IUPAC5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione
SMILESCOc1ccc(N)cc1N1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C15H13N3O3/c1-21-13-5-3-9(17)7-12(13)18-14(19)10-4-2-8(16)6-11(10)15(18)20/h2-7H,16-17H2,1H3
InChIKeySYFVMXUCTKTCKN-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.66
Rot. Bonds2

About 5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione

5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione (PubChem CID 139787309) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione
PubChem CID139787309
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione
SMILESCOc1ccc(N)cc1N1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C15H13N3O3/c1-21-13-5-3-9(17)7-12(13)18-14(19)10-4-2-8(16)6-11(10)15(18)20/h2-7H,16-17H2,1H3
InChIKeySYFVMXUCTKTCKN-UHFFFAOYSA-N
XLogP1.66
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(3,5-dimethoxyphenyl)isoindole-1,3-dione
CID 86258282
5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione
CID 11778411
3-(1,3-dioxoisoindol-2-yl)-4-methoxybenzaldehyde
CID 168517187
2-(5-tert-butyl-2-methoxyphenyl)isoindole-1,3-dione
CID 56954690
5-amino-2-(2-fluorophenyl)isoindole-1,3-dione
CID 28773180
4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione
CID 139787318
5-(4-aminophenyl)-2-[4-[5-(4-aminophenyl)-1,3-dioxoisoindol-2-yl]-3,5-dimethoxyphenyl]isoindole-1,3-dione
CID 171043375
5-amino-2-(5-fluoro-2-methylphenyl)isoindole-1,3-dione
CID 28773130
5-amino-2-(1,3-dimethylpyrazol-4-yl)isoindole-1,3-dione
CID 102805951
5-amino-2-(4-bromo-2-ethylphenyl)isoindole-1,3-dione
CID 81289908
5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione
CID 62813021
5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione
CID 107592889

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione?
The IUPAC name of 5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione (CID 139787309) is 5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione is COc1ccc(N)cc1N1C(=O)c2ccc(N)cc2C1=O.
What is the InChIKey of 5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione?
The InChIKey is SYFVMXUCTKTCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-21-13-5-3-9(17)7-12(13)18-14(19)10-4-2-8(16)6-11(10)15(18)20/h2-7H,16-17H2,1H3.
What are the key properties of 5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione?
5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione has a molecular weight of 283.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 139787309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).